2-[4-[[2-butyl-5-[(2-oxidanylcyclohexyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-[(2-oxidanylcyclohexyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-[[(2-hydroxycyclohexyl)amino]-oxomethyl]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H35N3O4 MolecularWeight: 525.638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)NC5CCCCC5O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)NC5CCCCC5O

InChI

InChI=1S/C32H35N3O4/c1-2-3-12-30-33-27-19-23(31(37)34-26-10-6-7-11-29(26)36)17-18-28(27)35(30)20-21-13-15-22(16-14-21)24-8-4-5-9-25(24)32(38)39/h4-5,8-9,13-19,26,29,36H,2-3,6-7,10-12,20H2,1H3,(H,34,37)(H,38,39)